N1-(1-adamantylmethyl)-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-(1-adamantylmethyl)-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-(1-adamantylmethyl)-N1,N4,N4-trimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-(1-adamantylmethyl)-N1,N4,N4-trimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-(1-adamantylmethyl)-1-N,4-N,4-N-trimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-(1-adamantylmethyl)-N,N',N'-trimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C20H29N3O6S2 MolecularWeight: 471.59076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N3O6S2/c1-21(2)30(26,27)17-4-5-19(18(9-17)23(24)25)31(28,29)22(3)13-20-10-14-6-15(11-20)8-16(7-14)12-20/h4-5,9,14-16H,6-8,10-13H2,1-3H3